1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

C19H24FN3O3 — CID 155991731

IUPAC1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCCC(O)(COc2ccc(F)cc2)C1
InChIInChI=1S/C19H24FN3O3/c1-15-7-10-21-23(15)12-8-18(24)22-11-2-9-19(25,13-22)14-26-17-5-3-16(20)4-6-17/h3-7,10,25H,2,8-9,11-14H2,1H3
InChIKeyMVDRZDLVRMBMBA-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.15
Rot. Bonds6

About 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 155991731) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
PubChem CID155991731
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCCC(O)(COc2ccc(F)cc2)C1
InChIInChI=1S/C19H24FN3O3/c1-15-7-10-21-23(15)12-8-18(24)22-11-2-9-19(25,13-22)14-26-17-5-3-16(20)4-6-17/h3-7,10,25H,2,8-9,11-14H2,1H3
InChIKeyMVDRZDLVRMBMBA-UHFFFAOYSA-N
XLogP2.15
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one
CID 155990558
2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 155990946
ethyl (3R)-3-[(4-fluorophenyl)methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxylate
CID 42463422
3-(5-methylpyrazol-1-yl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)-4-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 110081781
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 155991746
1-[3-hydroxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 132765130
1-[3-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-3-oxopropyl]pyridin-2-one
CID 155991024
(1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone
CID 155990942
1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 125017033
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 155991075
1-[4-[(4-chlorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110080420
2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 132649278

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 155991731) is 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is Cc1ccnn1CCC(=O)N1CCCC(O)(COc2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The InChIKey is MVDRZDLVRMBMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-15-7-10-21-23(15)12-8-18(24)22-11-2-9-19(25,13-22)14-26-17-5-3-16(20)4-6-17/h3-7,10,25H,2,8-9,11-14H2,1H3.
What are the key properties of 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 361.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 155991731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).